UCSF

ZINC33699956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 11.56 -39.15 0 8 -1 119 434.453 5
Lo Low (pH 4.5-6) 3.91 10.44 -20.08 1 8 0 116 435.461 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )